83954 CDK 1116211528 50 53 0 0 0 0 0 0 0 0999 V2000 6.6284 -0.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 -1.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 -1.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 2.4899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4539 2.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4456 2.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 -3.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 3.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 2.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4709 -3.9494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 -0.9734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3124 -0.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7289 -0.1766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7289 0.6485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5585 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3987 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3554 -1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -0.0446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5901 -1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 1.0610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2747 0.7736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1853 -1.8869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9668 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8622 1.4881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1853 -2.7119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6020 1.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4709 -3.1244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3645 2.4899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0372 1.4881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 -2.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 3.2044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7564 -1.8869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9966 -1.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 1.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6238 -0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 3.2044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0979 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 2.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7215 0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 3.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7564 -4.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -4.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 15 2 1 6 0 0 0 25 2 1 1 0 0 0 17 3 1 6 0 0 0 29 3 1 1 0 0 0 4 25 1 0 0 0 0 4 36 1 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 32 1 0 0 0 0 6 38 1 0 0 0 0 24 7 1 6 0 0 0 27 8 1 1 0 0 0 28 9 1 6 0 0 0 31 10 1 1 0 0 0 10 50 1 0 0 0 0 35 11 1 1 0 0 0 12 38 2 0 0 0 0 30 13 1 1 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 1 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 1 0 0 0 23 38 1 0 0 0 0 23 41 1 6 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 32 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 35 1 0 0 0 0 31 44 1 0 0 0 0 32 43 1 1 0 0 0 34 36 1 0 0 0 0 35 40 1 0 0 0 0 36 45 1 1 0 0 0 40 46 1 6 0 0 0 43 47 1 0 0 0 0 M END > CHEBI:184048 > Erythromycin a enol ether > 2 > (2R,3R,4S,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one > C37H65NO12 > 715.922 > 715.45068 > 0 > O1[C@]2([C@H](O[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C)[C@H]([C@H](O[C@@H]4O[C@H]([C@H](O)[C@](OC)(C4)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C1=C(C2)C)C)C)CC)=O)C)C)C > InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 > JFVYXJKGJMUGRG-KJPZRSJGSA-N $$$$